input word = C00055769

Metabolite InformationStructural formula
Name cis-4-O-Coumaroylquinic acid
cis-4-O-p-coumaroylquinic acid
Formula C16H18O8
Mw 338.10016755
CAS RN 934391-78-3
C_ID C00055769
InChIKey XWRHBGVVCOSNKO-JMYXGHFSSA-N
InChICode InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3-/t11-,12-,14-,16+/m1/s1
SMILES O=C(/C=Cc1ccc(O)cc1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeRhododendron galactinum Ref.
PlantaeEricaceaeRhododendron praevernum Ref.
PlantaeEricaceaeRhododendron sp. Ref.
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OrganismRhododendron galactinum
ReferenceJaiswal, R. et al., J. Mass. Spectrom. 47, (2012), 502-515.